SCHEMBL19909108

SCHEMBL19909108

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)c(-n3c4ccccc4c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)cc2C#N)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRM5 P41594 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19909102 0.97 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19913263 0.94 ABCG2 (0.38) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19913212 0.93 CYP1A2 (0.38) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487348 0.92 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19919452 0.92 ABCG2 (0.32) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19919654 0.92 ABCG2 (0.39) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19919830 0.89 CYP1A2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487644 0.88 ABCG2 (0.42) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563461 0.88 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19942610 0.88 L3MBTL1 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 ABCG2 624/4885CYP1A2 344/4885CYP2C9 102/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ABCG2 3492/4885CYP1A2 2290/4885CYP2C9 1631/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ABCG2 624/4885CYP1A2 344/4885CYP2C9 102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.